In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: (2S)-2-amino-N-[(1R,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]-2-methyl-pentanamide (2S)-2-amino-N-[(1R,3S)-1-(hydro…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.05 | 2.12 | -46.01 | 5 | 4 | 1 | 77 | 257.398 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 1.9 | -5.61 | 4 | 4 | 0 | 75 | 256.39 | 5 | ↓ |